8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one

C26H25N5O3 — CID 143841447

IUPAC8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one
SMILESCC(=O)N1CCC(c2ccc(Nc3nc(-c4cncc(O)c4)cc4cc[nH]c(=O)c34)cc2)CC1
InChIInChI=1S/C26H25N5O3/c1-16(32)31-10-7-18(8-11-31)17-2-4-21(5-3-17)29-25-24-19(6-9-28-26(24)34)13-23(30-25)20-12-22(33)15-27-14-20/h2-6,9,12-15,18,33H,7-8,10-11H2,1H3,(H,28,34)(H,29,30)
InChIKeyWEASHCMQHPSKES-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.16
Rot. Bonds4

About 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one

8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one (PubChem CID 143841447) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one
PubChem CID143841447
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one
SMILESCC(=O)N1CCC(c2ccc(Nc3nc(-c4cncc(O)c4)cc4cc[nH]c(=O)c34)cc2)CC1
InChIInChI=1S/C26H25N5O3/c1-16(32)31-10-7-18(8-11-31)17-2-4-21(5-3-17)29-25-24-19(6-9-28-26(24)34)13-23(30-25)20-12-22(33)15-27-14-20/h2-6,9,12-15,18,33H,7-8,10-11H2,1H3,(H,28,34)(H,29,30)
InChIKeyWEASHCMQHPSKES-UHFFFAOYSA-N
XLogP4.16
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one with MolForge

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Launch Full Analysis

Related Compounds

8-[4-(1-ethylpiperidin-4-yl)anilino]-6-(5-methylsulfonyl-3-pyridinyl)-2H-2,7-naphthyridin-1-one
CID 66887444
6-(1H-indol-5-yl)-8-[4-[1-(1-oxoprop-1-en-2-yl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 143841236
6-(5-ethylsulfonyl-3-pyridinyl)-8-[4-(1-methylsulfonylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 58094689
6-(6-methyl-3-pyridinyl)-8-[4-[1-[(Z)-pent-2-en-2-yl]piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 143841231
8-[4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
CID 58094409
8-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-6-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one
CID 58093803
8-[4-(1-methylpiperidin-4-yl)anilino]-6-(6-methyl-3-pyridinyl)-2H-2,7-naphthyridin-1-one
CID 58094511
6-(5-methoxy-3-pyridinyl)-8-[4-(1-methylsulfonylpyrrolidin-3-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 58093741
6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093620
8-[4-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
CID 50923262
6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094659
8-[4-(4-hydroxypiperidin-1-yl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
CID 58094084

Frequently Asked Questions

What is the IUPAC name of 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one (CID 143841447) is 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one is CC(=O)N1CCC(c2ccc(Nc3nc(-c4cncc(O)c4)cc4cc[nH]c(=O)c34)cc2)CC1.
What is the InChIKey of 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one?
The InChIKey is WEASHCMQHPSKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-16(32)31-10-7-18(8-11-31)17-2-4-21(5-3-17)29-25-24-19(6-9-28-26(24)34)13-23(30-25)20-12-22(33)15-27-14-20/h2-6,9,12-15,18,33H,7-8,10-11H2,1H3,(H,28,34)(H,29,30).
What are the key properties of 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one?
8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one has a molecular weight of 455.52 g/mol, XLogP of 4.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 143841447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).